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Versatile Computer Techniques for Searching by Structural Formulas, Partial Structures, and Classes of Compounds
Author(s) -
Meyer Ernst
Publication year - 1970
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.197005831
Subject(s) - carry (investment) , computer science , point (geometry) , encoding (memory) , fragment (logic) , element (criminal law) , theoretical computer science , sequence (biology) , algorithm , mathematics , artificial intelligence , chemistry , geometry , finance , political science , law , economics , biochemistry
The principles of the topological encoding of formulas and machine searching are briefly described. These methods have been developed to the point where it is now possible to carry out a computer search for a given structural fragment without the risk of false drops. It is also possible to carry out searches whose requirements, while well‐defined and readily used by chemists, cannot be represented exclusively by element symbols and chemical bonds.